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Chemical ID: 5920817

Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CN(C4CCCCC4)C(=O)C

Chemical ID:

5920817

Name [?]:

N-[[benzo[1,3]dioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclohexyl-acetamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CN(C4CCCCC4)C(=O)C

InChi [?]:

InChI=1/C24H30N2O4S/c1-17-10-11-31-23(17)14-25(13-19-8-9-21-22(12-19)30-16-29-21)24(28)15-26(18(2)27)20-6-4-3-5-7-20/h8-12,20H,3-7,13-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,31,26,25,27,24,28,11,12,3,4,15,9,7,21,17,2,29,10,23,13,14,6,19,8,22,30,20,18,16,5/E:(4,5)(6,7)/rA:31nCCCCSCCNCCCCCCCOCOCOCNCCCCCCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s24;s25;s26;s23s27;s22;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀N₂O₄S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.729
Area:	643.555
Solvation:	-5.35992
Coulombic:	-48.6811

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	442.572
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.38
LogP (Chemaxon):	3.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value